Compound Detail
CHEMBL5179569
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CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5179569 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJVWIZCJQXORSJ-DHLYAETASA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1027.2
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin D CHEMBL2581 | IC50 | 8.31 | 8.31 | 4.9 | 1 |
| Cathepsin E CHEMBL3092 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Beta-secretase 1 CHEMBL4822 | IC50 | 6.75 | 6.75 | 179.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin D | IC50 | = | 4.89 | nM | 8.31 | Inhibition of recombinant human liver Cathepsin D using Mca-Gly-Lys-Pro-Ile-Leu-... | 35121401 |
| Cathepsin E | IC50 | = | 120.0 | nM | 6.92 | Inhibition of Cathepsin E (unknown origin) using Mca-Gly-Lys-Pro-Ile-Leu-Phe-Phe... | 35121401 |
| Beta-secretase 1 | IC50 | = | 179.0 | nM | 6.75 | Inhibition of BACE1 (unknown origin) using Mca-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-P... | 35121401 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35121401 | 10.1016/j.bmc.2022.116646 | Cathepsin D | 1 |
| 35121401 | 10.1016/j.bmc.2022.116646 | Cathepsin E | 1 |
| 35121401 | 10.1016/j.bmc.2022.116646 | Beta-secretase 1 | 1 |
Data from ChEMBL 36 via Core Engine